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Compound InformationSONAR Target prediction
Name:

SUMARESINOLIC ACID

Unique Identifier:SPE01505133
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H48O4
Molecular Weight:424.319 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5C(O)CC43C)C2C1)C(O)=O
Class:triterpene
Source:Styrax benzoin, Enkianthus campanulatus, Orthopterygium huancuy
Reference:Helv Chim Acta 38:1304 (1955)

Found: 88 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [88]
Species: 4932
Condition: MSN5
Replicates: 2
Raw OD Value: r im 0.6949±0.0136472
Normalized OD Score: sc h 1.0148±0.0130403
Z-Score: 0.7334±0.672303
p-Value: 0.511564
Z-Factor: -5.4069
Fitness Defect: 0.6703
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-02-29 YYYY-MM-DD
Plate CH Control (+):0.040900000000000006±0.00069
Plate DMSO Control (-):0.6709499999999999±0.01474
Plate Z-Factor:0.9268
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1623 | Additional Members: 8 | Rows returned: 4
SPE01800123 0.328767123287671
SPE01504016 0.256756756756757
SPE00102058 0.246575342465753
SPE00100550 0

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